IFLAB-ZINC02716413 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -5.0260 -1.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -6.3100 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -6.3080 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -5.6940 1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -5.7040 2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -6.3110 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -6.9080 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 -6.9080 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -7.4980 -1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6930 -8.0980 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0260 -8.6970 -2.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2330 -8.6180 -3.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2070 -9.3210 -2.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5310 -9.9030 -3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5470 -11.0320 -3.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8860 -11.6400 -5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4820 -10.5610 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4660 -9.4320 -6.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1270 -8.8240 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -5.0250 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -4.6910 2.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -4.1870 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -5.1120 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -6.3810 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -7.1680 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -5.2400 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -6.3200 3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6990 -7.3760 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6980 -8.8810 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4340 -7.3410 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 -9.3850 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 -10.3010 -4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1230 -11.8010 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4540 -10.6350 -3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9790 -12.0380 -5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6100 -12.4450 -4.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7230 -10.9940 -6.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3880 -10.1630 -5.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 -9.8290 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8900 -8.6630 -6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0330 -8.4260 -4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 -8.0190 -4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 2 0 0 0 0 M END